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evaleev / libint

Libint: high-performance library for computing Gaussian integrals in quantum mechanics
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Problems with compilation and preprocessing #215

Open spriti523 opened 3 years ago

spriti523 commented 3 years ago

Hi, I have been trying to install libint in order to use it for molgw. I would like to add the following:

  1. The ULONGLONG_MAX is not responsive in the ~/libint/include/libint2/util/intrinsic_types.h
  2. Even after rectifying the above, the code would not still make.
  3. In the preprocessing step with the molgW it is giving me ~/libint/include/libint2/util/generated/libint2_params.h:26:38: fatal error: libint2/libint2_params.h: No such file or directory

    include <libint2/libint2_params.h>

It will be really helpful, to know what is wrong with the compilation procedure. I have been following the exact steps as mentioned in INSTALL. And unfortunately, this compilation failure also affecting the molgw usability. Please if this could be addressed asap. Thanks in advance !

evaleev commented 3 years ago

Please provide more details. Whether ULONGLONG_MAX is defined checked before use: https://github.com/evaleev/libint/blob/master/include/libint2/util/intrinsic_types.h#L46 . Are you compiling generated library only, or the entire compiler+library stack? Which version (or commit)?

evaleev commented 2 years ago

@spriti523 is this still relevant?